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	hartrees
Energy at 0K	-187.529670
Energy at 298.15K	-187.534522
HF Energy	-186.941865
Nuclear repulsion energy	102.967290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3546	3328	1.45
2	A'	3137	2944	8.85
3	A'	2436	2286	0.14
4	A'	1742	1635	29.80
5	A'	1537	1442	6.87
6	A'	1409	1322	10.74
7	A'	1161	1089	15.50
8	A'	988	927	173.26
9	A'	882	828	48.71
10	A'	575	540	10.77
11	A'	211	198	13.65
12	A"	3633	3410	3.92
13	A"	3184	2988	4.08
14	A"	1430	1342	0.06
15	A"	1231	1155	0.01
16	A"	921	864	0.05
17	A"	401	376	19.53
18	A"	279	262	56.22

Atom	x (Å)	y (Å)	z (Å)
N1	-1.455	0.723	0.000
C2	0.000	0.833	0.000
C3	0.725	-0.463	0.000
N4	1.248	-1.498	0.000
H5	-1.762	0.199	0.816
H6	-1.762	0.199	-0.816
H7	0.314	1.403	0.879
H8	0.314	1.403	-0.879

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4593	2.4811	3.4978	1.0171	1.0171	2.0894	2.0894
C2	1.4593		1.4847	2.6440	2.0431	2.0431	1.0934	1.0934
C3	2.4811	1.4847		1.1599	2.6996	2.6996	2.1024	2.1024
N4	3.4978	2.6440	1.1599		3.5502	3.5502	3.1714	3.1714
H5	1.0171	2.0431	2.6996	3.5502		1.6318	2.4012	2.9384
H6	1.0171	2.0431	2.6996	3.5502	1.6318		2.9384	2.4012
H7	2.0894	1.0934	2.1024	3.1714	2.4012	2.9384		1.7578
H8	2.0894	1.0934	2.1024	3.1714	2.9384	2.4012	1.7578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.865	N1	C2	H7	109.030
N1	C2	H8	109.030	C2	N1	H5	109.896
C2	N1	H6	109.896	C2	C3	N4	177.582
C3	C2	H7	108.321	C3	C2	H8	108.321
H5	N1	H6	106.672	H7	C2	H8	106.991

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP3/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)